{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 5.41998 5.056821 4.83175 4.668224 4.539712 4.433833 4.343795 4.265471 4.196159 4.133998 4.07765 4.02612 3.978649 3.934643 3.89363 3.855231 3.81913 3.785069 3.752829 3.722226 3.693101 3.665318 3.638759 3.61332 3.596002 3.577775 3.55854 3.538177 3.516546 3.493479 3.468771 3.442172 3.413366 3.381955 3.347421 3.309072 3.26596 3.216733 3.159364 3.090614 3.004824 2.89066 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.41998e-10 5.056821e-10 4.83175e-10 4.668224000000001e-10 4.539712e-10 4.433833e-10 4.343795e-10 4.265471e-10 4.196159e-10 4.1339980000000003e-10 4.0776500000000004e-10 4.02612e-10 3.978649e-10 3.934643e-10 3.89363e-10 3.855231e-10 3.81913e-10 3.785069e-10 3.752829e-10 3.7222260000000004e-10 3.693101e-10 3.6653180000000003e-10 3.6387589999999997e-10 3.61332e-10 3.596002e-10 3.577775e-10 3.55854e-10 3.538177e-10 3.516546e-10 3.493479e-10 3.468771e-10 3.442172e-10 3.413366e-10 3.381955e-10 3.347421e-10 3.3090720000000004e-10 3.26596e-10 3.216733e-10 3.1593640000000004e-10 3.090614e-10 3.004824e-10 2.8906600000000003e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 1.08897 1.51691 1.8277 2.0847 2.29861 2.48033 2.6367 2.7724 2.89077 2.99433 3.08503 3.1644 3.2337 3.29396 3.34604 3.39067 3.42847 3.45999 3.4857 3.50601 3.52128 3.53185 3.538 3.54 3.53904 3.53589 3.53006 3.52095 3.50778 3.48955 3.46494 3.43221 3.38897 3.33193 3.25636 3.15534 3.01828 2.82822 2.55626 2.149 1.49605 0.326197 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.744722274752576e-19 2.4303577378577282e-19 2.9282982098361604e-19 3.3400576013817607e-19 3.6827792023370884e-19 3.973926737868864e-19 4.22445909606336e-19 4.441874463505921e-19 4.631524110110016e-19 4.797445520960065e-19 4.942762940466624e-19 5.06992769885952e-19 5.18095853868096e-19 5.277505701850369e-19 5.360947060261632e-19 5.432452202847937e-19 5.493014479114176e-19 5.543515086201792e-19 5.584707047122561e-19 5.617247254291008e-19 5.641712491290624e-19 5.65864749817248e-19 5.6685008843904e-19 5.671705237632001e-19 5.670167148076032e-19 5.665120291720513e-19 5.655779602021248e-19 5.64118377300576e-19 5.620083106909824e-19 5.59087542711264e-19 5.551445860474752e-19 5.499006619675968e-19 5.429728502592577e-19 5.3383403481421445e-19 5.217263860908288e-19 5.055411978675072e-19 4.835817651028224e-19 4.531307962478976e-19 4.095580008686208e-19 3.4430775580992e-19 2.3969363335478405e-19 5.226252071750977e-20 ] } }